ArticleNucleic acids research2017
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands.
Article in Nucleic acids research, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 377 papers, 1 of them a synthesis that pooled it.
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Who cites it
377 citing papers in PubMed, 1 synthesis or guideline pooled it.
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- Reconciling strong coordination and anion-reinforced solvation structure enables nonflammable electrolytes for potassium-ion batteries.Nature communications · 2026Article
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- lmp2gro: A Python Tool for Converting LAMMPS Data Files into GROMACS Topologies.Journal of chemical information and modeling · 2026Article
317 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
The accurate calculation of protein/nucleic acid-ligand interactions or condensed phase properties by force field-based methods require a precise description of the energetics of intermolecular interactions. Despite the progress made in force fields, small molecule parameterization remains an open problem due to the magnitude of the chemical space; the most critical issue is the estimation of a balanced set of atomic charges with the ability to reproduce experimental properties. The LigParGen web server provides an intuitive interface for generating OPLS-AA/1.14*CM1A(-LBCC) force field parameters for organic ligands, in the formats of commonly used molecular dynamics and Monte Carlo simulation packages. This server has high value for researchers interested in studying any phenomena based on intermolecular interactions with ligands via molecular mechanics simulations. It is free and open to all at jorgensenresearch.com/ligpargen, and has no login requirements.
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Registered trials
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